BioLiP

PDB

BioLiP

PDB CCD ID:

6EO

Number of entries in BioLiP:

Chemical formula:

C14 H11 Cl N2 O3

InChI:

InChI=1S/C14H11ClN2O3/c15-10-3-1-9(2-4-10)7-13(18)17-12-8-16-6-5-11(12)14(19)20/h1-6,8H,7H2,(H,17,18)(H,19,20)

InChIKey:

BGMIWCIVXVXHDU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1ccncc1NC(=O)Cc2ccc(Cl)cc2
OpenEye OEToolkits 2.0.4	c1cc(ccc1CC(=O)Nc2cnccc2C(=O)O)Cl
ACDLabs 12.01	c1c(ccc(c1)Cl)CC(Nc2cnccc2C(=O)O)=O

Name:

3-{[(4-chlorophenyl)acetyl]amino}pyridine-4-carboxylic acid

ChEMBL:

CHEMBL5278205

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).